COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147486
Chemical Name: (2-{(E)-[2-({[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetate
Smiles: O=C(CSc1[nH+]nc(n1C1CCCCC1)c1ccc(cc1)Cl)N/N=C/c1ccccc1OCC(=O)[O-]

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Molecular Weight: 528.03
Empirical Formula: C25H26ClN5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.523
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 148
Number of rings: 4

     

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